4-硝基苯乙醇
TL;DR: 4-硝基苯乙醇 (CAS 100-27-6) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯乙醇
2-(4-nitrophenyl)ethanol
Also Known As: 4-Nitrophenethyl alcohol, 2-(4-Nitrophenyl)ethanol, 4-Nitrobenzeneethanol, Benzeneethanol, 4-nitro-, 2-(p-Nitrophenyl)ethanol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Melting Point | 144 to 63.9 °C |
| Boiling Point | 177.2 °C at 16 mmHg |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 100-27-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCO)[N+](=O)[O-] |
| InChIKey | IKMXRUOZUUKSON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯乙醇 (CAS 100-27-6), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 2-(4-nitrophenyl)ethanol.
Chemical Property Profile of 4-硝基苯乙醇
Property Insights of 4-硝基苯乙醇
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯乙醇. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯乙醇. Following Lipinski's Rule of Five, 4-硝基苯乙醇 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-硝基苯乙醇?
The CAS number of 4-硝基苯乙醇 is 100-27-6.
What is the molecular formula of 4-硝基苯乙醇?
The molecular formula of 4-硝基苯乙醇 is C8H9NO3.
What is the molecular weight of 4-硝基苯乙醇?
The molecular weight of 4-硝基苯乙醇 is 167.06 g/mol.
Where can I buy 4-硝基苯乙醇?
You can request a quote for 4-硝基苯乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯乙醇?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.